ethyl 3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C19H21N3O8S MolecularWeight: 451.45034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O8S/c1-4-30-19(24)13-6-5-7-14(10-13)20-18(23)12-21(31(3,27)28)16-11-15(22(25)26)8-9-17(16)29-2/h5-11H,4,12H2,1-3H3,(H,20,23)